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PUBCHEM-ZINC02851528

 MMsINC code: MMs02938615
Type: Neutral
Formula: C11H22N2O3
SMILES:   O(CCCNC(=O)C(=O)NC(CC)C)CC
InChI:   InChI=1/C11H22N2O3/c1-4-9(3)13-11(15)10(14)12-7-6-8-16-5-2/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.5366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.308 g/mol  logS: -1.46349  SlogP: 0.4439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030688  Sterimol/B1: 2.16447  Sterimol/B2: 2.56319  Sterimol/B3: 3.79178
  Sterimol/B4: 5.85106  Sterimol/L: 18.1444 
 
 Surface and Volume Properties
  Accessible surface: 526.691  Positive charged surface: 397.622  Negative charged surface: 129.068  Volume: 242.625
  Hydrophobic surface: 363.699  Hydrophilic surface: 162.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.